ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(2-hydroxyethyl)amino]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid | C13H22N2O8

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(2-hydroxyethyl)amino]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC13H22N2O8
  • Average mass334.322 Da
  • Monoisotopic mass334.137604 Da
  • ChemSpider ID107449157

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-[(2-hydroxyethyl)amino]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,4,5-tridesoxy-4-[(2-hydroxyethyl)amino]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-3,4,5-tridésoxy-4-[(2-hydroxyéthyl)amino]-6-[(1S,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-L-altro-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(2-hydroxyethyl)amino]- [ACD/Index Name]
151781-06-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 776.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.57
ACD/LogD (pH 5.5): -4.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 223.4±5.0 cm3

Click to predict properties on the Chemicalize site


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